SCHEMBL2162172

SCHEMBL2162172

CSC[C@H](C)NC(=O)c1c(Cl)cccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
PBRM1 Q86U86 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GPR139 Q6DWJ6 2/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
SLC16A3 O15427 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 4/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL551661 1.00 ITGB1 (0.44) ITGB1ITGA4PBRM1TAS1R3TAS1R1
SCHEMBL4975149 0.99 ITGB1 (0.43) ITGB1ITGA4PBRM1TAS1R3TAS1R1
SCHEMBL551662 0.89 TAS1R3 (0.45) ITGB1ITGA4PBRM1TAS1R3TAS1R1
SCHEMBL550830 0.88 TAS1R3 (0.42) ITGB1ITGA4PBRM1TAS1R3TAS1R1
Lithium Ion SCHEMBL4975146 0.87 ITGB1 (0.40) ITGB1ITGA4TAS1R3TAS1R1TAS1R2
Lithium Ion SCHEMBL5498755 0.87 ITGB1 (0.40) ITGB1ITGA4TAS1R3TAS1R1TAS1R2
SCHEMBL14534476 0.85 L3MBTL1 (0.44) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL2161524 0.85 ALDH1A1 (0.38) TAS1R3TAS1R1TAS1R2TSHRMEN1
SCHEMBL551263 0.84 KMT2A (0.41) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL552115 0.84 MEN1 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 ITGB1 4654/4885ITGA4 4753/4885PBRM1 3030/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.